CID 121597168

4-(trimethoxymethyl)oxane

Structural Information

Molecular Formula
C9H18O4
SMILES
COC(C1CCOCC1)(OC)OC
InChI
InChI=1S/C9H18O4/c1-10-9(11-2,12-3)8-4-6-13-7-5-8/h8H,4-7H2,1-3H3
InChIKey
KIUXMKKSPICIKQ-UHFFFAOYSA-N
Compound name
4-(trimethoxymethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12051 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.127786 140.9
[M+Na]+ 213.109728 145.6
[M-H]- 189.113234 144.3
[M+NH4]+ 208.154333 159.1
[M+K]+ 229.083668 147.8
[M+H-H2O]+ 173.117770 135.4
[M+HCOO]- 235.118711 159.7
[M+CH3COO]- 249.134361 180.9
[M+Na-2H]- 211.095176 148.2
[M]+ 190.11996142 142.6
[M]- 190.12105858 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.